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1000576-51-1,MFCD09878564
Catalog No.:AA0000O9
1H-Indole-6-carboxylic acid, 3-cyano-, methyl ester | 1000576-51-1
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250mg
95%
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$60.00
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0000O9
Chemical Name:
1H-Indole-6-carboxylic acid, 3-cyano-, methyl ester
CAS Number:
1000576-51-1
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD09878564
IUPAC Name:
methyl 3-cyano-1H-indole-6-carboxylate
InChI:
InChI=1S/C11H8N2O2/c1-15-11(14)7-2-3-9-8(5-12)6-13-10(9)4-7/h2-4,6,13H,1H3
InChI Key:
YBZVEPCMUWGFNW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)[nH]cc2C#N
Properties
Computed Properties
 
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
1000576-51-1 
methyl 3-cyano-1H-indole-6-carboxylate 
AKOS015836407 
RP07494 
AJ-84104 
AS-36498 
CJ-17760 
AX8282690 
TR-039735 
3-Cyanoindole-6-carboxylic acid methyl ester 
FT-0685616 
Y6755 
Methyl 3-cyanoindole-6-carboxylate 
3-cyano-1H-Indole-6-carboxylic acid methyl ester 
1H-Indole-6-carboxylicacid, 3-cyano-, methyl ester 
J-522170 
Z2738925320 
C11H8N2O2 
MFCD09878564 
W-204332 
1H-Indole-6-carboxylic acid, 3-cyano-, methyl ester 
CTK3J8468 
DTXSID10653349 
ZINC30678471 
Literature
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